Spektraris NMR
Stigmasterol glucoside
Common Name: Stigmasterol glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey: InChIKey=VWDLOXMZIGUBKM-AUGXRQBFSA-N
Formula: C35H58O6
Molecular Weight: 574.83275
Exact Mass: 574.42334
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - El-Askary, H.I. Molecules (2005) 10, 971-7
Species:
Notes: Family : Steroids, Type : Stigmastanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 37.4 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 78.1 |
| 4 (CH2) | 39.2 |
| 5 (C) | 140.8 |
| 6 (CH) | 121.9 |
| 7 (CH2) | 32.1 |
| 8 (CH) | 32 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 39.9 |
| 13 (C) | 42.5 |
| 14 (CH) | 56.8 |
| 15 (CH2) | 24.5 |
| 16 (CH2) | 29.4 |
| 17 (CH) | 56.2 |
| 18 (CH3) | 12 |
| 19 (CH3) | 19.4 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 19 |
| 22 (CH) | 137.3 |
| 23 (CH) | 128.3 |
| 24 (CH) | 46 |
| 25 (CH) | 26.3 |
| 26 (CH3) | 20 |
| 27 (CH3) | 19.2 |
| 1' (CH) | 102.4 |
| 2' (CH) | 75 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.7 |
| 24a (CH2) | 29.9 |
| 24b (CH3) | 2.2 |
